Geometry & MOs

Info

ID:

114422

PubChem CID:

50482099

Reduced:

F4O5N6H38C40 (1)

Stoich.:

A4B5C6D38E40 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-313.95

Dipole, Da:

8.59

IP(EA), eV:

 -8.97(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5F)C(=O)NC6=CC(=C(C=C6)F)F

DOS

IR

Vibrations